Structure Database (LMSD)

Common Name
11beta-13,14-dihydro-15-keto PGF2alpha
Systematic Name
9S,11R-dihydroxy-15-oxo-5Z-prostenoic acid
Synonyms
  • 11beta-dhk-PGF2alpha
  • 11beta-13,14-dihydro-15-keto Prostaglandin F2alpha
  • 11beta-dhk-PGF2a
LM ID
LMFA03010203
Status
Active
Exact Mass
Calculate m/z
354.240625
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
VKTIONYPMSCHQI-KGILNJEGSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O

References

Other Databases

CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 378.23
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.05
Molar Refractivity 98.26

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Created at
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Updated at
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